Geometry & MOs

Info

ID:	147565
PubChem CID:	53787221
Reduced:	N2S2O5H16C19 (1)
Stoich.:	A2B2C5D16E19 (1)
Weight, g/mol:	339.033207
ΔH_f, kcal/mol:	-125.91
Dipole, Da:	3.31
IP(EA), eV:	-9.02(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-chloro-2-(1,3-thiazol-5-ylmethoxy)phenyl]-3-methoxyprop-2-enoate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)CC2=NC3=C(O2)C=CC(=C3)CC4=C(NC(=O)S4)O

DOS

IR

Vibrations